[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone

C20H25N3O2S — CID 118738815

IUPAC[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCC2(CCCN(CCOc3ccccc3)C2)C1
InChIInChI=1S/C20H25N3O2S/c24-19(18-13-26-16-21-18)23-10-8-20(15-23)7-4-9-22(14-20)11-12-25-17-5-2-1-3-6-17/h1-3,5-6,13,16H,4,7-12,14-15H2
InChIKeyCDPOYEQXXBJFPT-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.15
Rot. Bonds5

About [9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone

[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 118738815) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is [9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID118738815
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCC2(CCCN(CCOc3ccccc3)C2)C1
InChIInChI=1S/C20H25N3O2S/c24-19(18-13-26-16-21-18)23-10-8-20(15-23)7-4-9-22(14-20)11-12-25-17-5-2-1-3-6-17/h1-3,5-6,13,16H,4,7-12,14-15H2
InChIKeyCDPOYEQXXBJFPT-UHFFFAOYSA-N
XLogP3.15
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone (CID 118738815) is [9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CCC2(CCCN(CCOc3ccccc3)C2)C1.
What is the InChIKey of [9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is CDPOYEQXXBJFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c24-19(18-13-26-16-21-18)23-10-8-20(15-23)7-4-9-22(14-20)11-12-25-17-5-2-1-3-6-17/h1-3,5-6,13,16H,4,7-12,14-15H2.
What are the key properties of [9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone?
[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 371.51 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 118738815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).